5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide

C19H21N5O3S — CID 24759401

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CCS(N)(=O)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C19H21N5O3S/c20-11-15-12-22-18(23-15)19(25)24-17-7-6-13(8-9-28(21,26)27)10-16(17)14-4-2-1-3-5-14/h4,6-7,10,12H,1-3,5,8-9H2,(H,22,23)(H,24,25)(H2,21,26,27)
InChIKeyWQLYJHDWSZURLE-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.32
Rot. Bonds6

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24759401) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24759401
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(CCS(N)(=O)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C19H21N5O3S/c20-11-15-12-22-18(23-15)19(25)24-17-7-6-13(8-9-28(21,26)27)10-16(17)14-4-2-1-3-5-14/h4,6-7,10,12H,1-3,5,8-9H2,(H,22,23)(H,24,25)(H2,21,26,27)
InChIKeyWQLYJHDWSZURLE-UHFFFAOYSA-N
XLogP2.32
TPSA141.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide (CID 24759401) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(CCS(N)(=O)=O)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is WQLYJHDWSZURLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c20-11-15-12-22-18(23-15)19(25)24-17-7-6-13(8-9-28(21,26)27)10-16(17)14-4-2-1-3-5-14/h4,6-7,10,12H,1-3,5,8-9H2,(H,22,23)(H,24,25)(H2,21,26,27).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-sulfamoylethyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).